1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide

C24H29F3N4O2 — CID 155438727

IUPAC1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide
SMILESCC(C)(F)C1=CC=CC(C(N)=O)N1c1cc2cn(C3CCC(CO)CC3)nc2cc1C(F)F
InChIInChI=1S/C24H29F3N4O2/c1-24(2,27)21-5-3-4-19(23(28)33)31(21)20-10-15-12-30(16-8-6-14(13-32)7-9-16)29-18(15)11-17(20)22(25)26/h3-5,10-12,14,16,19,22,32H,6-9,13H2,1-2H3,(H2,28,33)
InChIKeyXMCOARYJAGNZLI-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.56
Rot. Bonds6

About 1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide

1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide (PubChem CID 155438727) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide
PubChem CID155438727
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide
SMILESCC(C)(F)C1=CC=CC(C(N)=O)N1c1cc2cn(C3CCC(CO)CC3)nc2cc1C(F)F
InChIInChI=1S/C24H29F3N4O2/c1-24(2,27)21-5-3-4-19(23(28)33)31(21)20-10-15-12-30(16-8-6-14(13-32)7-9-16)29-18(15)11-17(20)22(25)26/h3-5,10-12,14,16,19,22,32H,6-9,13H2,1-2H3,(H2,28,33)
InChIKeyXMCOARYJAGNZLI-UHFFFAOYSA-N
XLogP4.56
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide?
The IUPAC name of 1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide (CID 155438727) is 1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide?
The canonical SMILES for 1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide is CC(C)(F)C1=CC=CC(C(N)=O)N1c1cc2cn(C3CCC(CO)CC3)nc2cc1C(F)F.
What is the InChIKey of 1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide?
The InChIKey is XMCOARYJAGNZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-24(2,27)21-5-3-4-19(23(28)33)31(21)20-10-15-12-30(16-8-6-14(13-32)7-9-16)29-18(15)11-17(20)22(25)26/h3-5,10-12,14,16,19,22,32H,6-9,13H2,1-2H3,(H2,28,33).
What are the key properties of 1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide?
1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(2-fluoropropan-2-yl)-2H-pyridine-2-carboxamide is sourced from PubChem (CID 155438727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).